N-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide

C19H15Cl2N3O4S — CID 24638472

IUPACN-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C19H15Cl2N3O4S/c20-13-5-3-4-12(17(13)21)10-14-18(27)24(19(28)29-14)9-7-22-15(25)11-23-8-2-1-6-16(23)26/h1-6,8,10H,7,9,11H2,(H,22,25)/b14-10-
InChIKeyFSZIHAZFFCRHKI-UVTDQMKNSA-N
MW452.32 g/mol
LogP3.01
Rot. Bonds6

About N-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide

N-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 24638472) has the molecular formula C19H15Cl2N3O4S and a molecular weight of 452.32 g/mol. Its IUPAC name is N-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID24638472
Molecular FormulaC19H15Cl2N3O4S
Molecular Weight452.32 g/mol
Exact Mass451.02
IUPAC NameN-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C19H15Cl2N3O4S/c20-13-5-3-4-12(17(13)21)10-14-18(27)24(19(28)29-14)9-7-22-15(25)11-23-8-2-1-6-16(23)26/h1-6,8,10H,7,9,11H2,(H,22,25)/b14-10-
InChIKeyFSZIHAZFFCRHKI-UVTDQMKNSA-N
XLogP3.01
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27565249
N-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-methoxyphenyl)acetamide
CID 24670550
2-(4-benzylpiperazin-1-yl)-N-[2-[5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 4688828
N-[2-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 24538672
N-[2-[5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4027503
N-[3-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 27565166
N-[2-[5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 4825472
N-[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 18083477
N-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-methylsulfonylbenzamide
CID 26205544
3-acetamido-N-[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-phenylpropanamide
CID 17473855
(E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078066
N-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2,3-dichlorobenzamide
CID 3469181

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide (CID 24638472) is N-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide is O=C(Cn1ccccc1=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O.
What is the InChIKey of N-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is FSZIHAZFFCRHKI-UVTDQMKNSA-N. The full InChI is InChI=1S/C19H15Cl2N3O4S/c20-13-5-3-4-12(17(13)21)10-14-18(27)24(19(28)29-14)9-7-22-15(25)11-23-8-2-1-6-16(23)26/h1-6,8,10H,7,9,11H2,(H,22,25)/b14-10-.
What are the key properties of N-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide?
N-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 452.32 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 24638472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).